A2730/0115884
TL;DR: A2730/0115884 (CAS 448188-68-9) is a chemical compound with molecular formula C16H16F3N3O4S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate
Also Known As: A2730/0115884, Methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate, methyl 3,3,3-trifluoro-2-(2-methoxybenzamido)-2-((4-methylthiazol-2-yl)amino)propanoate, 3,3,3-Trifluoro-2-(2-methoxy-benzoylamino)-2-(4-methyl-thiazol-2-ylamino)-propionic acid methyl ester, Methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate #
| Molecular Formula | C16H16F3N3O4S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.08136 |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 448188-68-9 |
|---|---|
| SMILES | CC1=CSC(=N1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CC=C2OC |
| InChIKey | UKUZTEUJWUMKOE-UHFFFAOYSA-N |
Product Overview
A2730/0115884 (CAS 448188-68-9), with molecular formula C16H16F3N3O4S and molecular weight 403.08 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanoate.
Chemical Property Profile of A2730/0115884
Property Insights of A2730/0115884
The XLogP value of 4.2 indicates that A2730/0115884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2730/0115884. Following Lipinski's Rule of Five, A2730/0115884 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2730/0115884?
The CAS number of A2730/0115884 is 448188-68-9.
What is the molecular formula of A2730/0115884?
The molecular formula of A2730/0115884 is C16H16F3N3O4S.
What is the molecular weight of A2730/0115884?
The molecular weight of A2730/0115884 is 403.08 g/mol.
Where can I buy A2730/0115884?
You can request a quote for A2730/0115884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2730/0115884?
Yes, KEHONG BIO provides custom synthesis services for A2730/0115884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.